(E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

C20H18F2N2O2 — CID 2167116

IUPAC(E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O2/c21-17-7-1-15(2-8-17)5-11-19(25)23-13-14-24-20(26)12-6-16-3-9-18(22)10-4-16/h1-12H,13-14H2,(H,23,25)(H,24,26)/b11-5+,12-6+
InChIKeyAXNAEEABUVOXJK-YDWXAUTNSA-N
MW356.37 g/mol
LogP2.92
Rot. Bonds7

About (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 2167116) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID2167116
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCNC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O2/c21-17-7-1-15(2-8-17)5-11-19(25)23-13-14-24-20(26)12-6-16-3-9-18(22)10-4-16/h1-12H,13-14H2,(H,23,25)(H,24,26)/b11-5+,12-6+
InChIKeyAXNAEEABUVOXJK-YDWXAUTNSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (CID 2167116) is (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCNC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is AXNAEEABUVOXJK-YDWXAUTNSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-17-7-1-15(2-8-17)5-11-19(25)23-13-14-24-20(26)12-6-16-3-9-18(22)10-4-16/h1-12H,13-14H2,(H,23,25)(H,24,26)/b11-5+,12-6+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 356.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 2167116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).